(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol

C14H13NO3S — CID 55240820

IUPAC(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13NO3S/c1-10(16)11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)15(17)18/h2-10,16H,1H3/t10-/m1/s1
InChIKeyZHAAZXDOOKHSSC-SNVBAGLBSA-N
MW275.33 g/mol
LogP3.80
Rot. Bonds4

About (1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol

(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol (PubChem CID 55240820) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is (1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol
PubChem CID55240820
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13NO3S/c1-10(16)11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)15(17)18/h2-10,16H,1H3/t10-/m1/s1
InChIKeyZHAAZXDOOKHSSC-SNVBAGLBSA-N
XLogP3.80
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-2-(4-propan-2-ylphenyl)sulfanylbenzene
CID 59410267
(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370307
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
1-[4-(2-bromophenyl)sulfanyl-3-nitrophenyl]ethanol
CID 63813423
(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951725
4-(2-nitrophenyl)sulfanylnaphthalen-1-ol
CID 23239241
1-(2,3-dinitrophenyl)sulfanyl-2,3-dinitrobenzene
CID 54456193
1-fluoro-2-nitro-3-(2-nitrophenyl)sulfanylbenzene
CID 62690853
1-tert-butylsulfanyl-2-nitrobenzene
CID 15655967

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol (CID 55240820) is (1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol is C[C@@H](O)c1ccccc1Sc1ccccc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol?
The InChIKey is ZHAAZXDOOKHSSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-10(16)11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)15(17)18/h2-10,16H,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol?
(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol has a molecular weight of 275.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 55240820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).